Targeting the RdRp of Emerging RNA Viruses: The Structure-Based Drug Design Challenge

Molecules. 2020 Dec 3;25(23):5695. doi: 10.3390/molecules25235695.

Abstract

The RNA-dependent RNA polymerase (RdRp) is an essential enzyme for the viral replication process, catalyzing the viral RNA synthesis using a metal ion-dependent mechanism. In recent years, RdRp has emerged as an optimal target for the development of antiviral drugs, as demonstrated by recent approvals of sofosbuvir and remdesivir against Hepatitis C virus (HCV) and severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), respectively. In this work, we overview the main sequence and structural features of the RdRp of emerging RNA viruses such as Coronaviruses, Flaviviruses, and HCV, as well as inhibition strategies implemented so far. While analyzing the structural information available on the RdRp of emerging RNA viruses, we provide examples of success stories such as for HCV and SARS-CoV-2. In contrast, Flaviviruses' story has raised attention about how the lack of structural details on catalytically-competent or ligand-bound RdRp strongly hampers the application of structure-based drug design, either in repurposing and conventional approaches.

Keywords: Mg2+ ions catalysis; RdRp; emerging RNA viruses; small molecule inhibitors; structure-based drug design.

Publication types

  • Review

MeSH terms

  • Amides / chemistry
  • Amides / pharmacology
  • Antiviral Agents / chemistry*
  • Antiviral Agents / pharmacology*
  • Coronavirus / drug effects
  • Coronavirus / enzymology
  • Coronavirus / genetics
  • Drug Design
  • Enzyme Inhibitors / chemistry
  • Enzyme Inhibitors / pharmacology
  • Flavivirus / drug effects
  • Flavivirus / enzymology
  • Flavivirus / genetics
  • Hepacivirus / drug effects
  • Hepacivirus / enzymology
  • Hepacivirus / genetics
  • Humans
  • Pyrazines / chemistry
  • Pyrazines / pharmacology
  • RNA Virus Infections / epidemiology
  • RNA Viruses / drug effects
  • RNA Viruses / enzymology*
  • RNA-Dependent RNA Polymerase / antagonists & inhibitors
  • RNA-Dependent RNA Polymerase / chemistry*
  • RNA-Dependent RNA Polymerase / metabolism
  • Small Molecule Libraries / chemistry
  • Small Molecule Libraries / pharmacology

Substances

  • Amides
  • Antiviral Agents
  • Enzyme Inhibitors
  • Pyrazines
  • Small Molecule Libraries
  • RNA-Dependent RNA Polymerase
  • favipiravir